4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid

C18H24BrNO2 — CID 122030564

IUPAC4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC2(c3ccc(Br)cc3)CCC2)CC1
InChIInChI=1S/C18H24BrNO2/c19-15-6-4-14(5-7-15)18(10-1-11-18)12-20-16-8-2-13(3-9-16)17(21)22/h4-7,13,16,20H,1-3,8-12H2,(H,21,22)
InChIKeyMAPZDQBCPFYXNA-UHFFFAOYSA-N
MW366.30 g/mol
LogP4.10
Rot. Bonds5

About 4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid

4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid (PubChem CID 122030564) has the molecular formula C18H24BrNO2 and a molecular weight of 366.30 g/mol. Its IUPAC name is 4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid
PubChem CID122030564
Molecular FormulaC18H24BrNO2
Molecular Weight366.30 g/mol
Exact Mass365.10
IUPAC Name4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC2(c3ccc(Br)cc3)CCC2)CC1
InChIInChI=1S/C18H24BrNO2/c19-15-6-4-14(5-7-15)18(10-1-11-18)12-20-16-8-2-13(3-9-16)17(21)22/h4-7,13,16,20H,1-3,8-12H2,(H,21,22)
InChIKeyMAPZDQBCPFYXNA-UHFFFAOYSA-N
XLogP4.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030570
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030094
4-[[1-(3-methylphenyl)cyclohexyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030435
N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine
CID 62595905
N-[[2-(4-bromophenyl)-7-oxaspiro[3.5]nonan-2-yl]methyl]cyclopropanamine
CID 65006458
3-[(4-bromophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66033001
1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 110902757
4-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]cyclohexane-1-carboxylic acid
CID 122032249
N-[(1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine
CID 62595338
4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 112753652
4-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
CID 122032364
N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 63512101

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid (CID 122030564) is 4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCC2(c3ccc(Br)cc3)CCC2)CC1.
What is the InChIKey of 4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is MAPZDQBCPFYXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO2/c19-15-6-4-14(5-7-15)18(10-1-11-18)12-20-16-8-2-13(3-9-16)17(21)22/h4-7,13,16,20H,1-3,8-12H2,(H,21,22).
What are the key properties of 4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid?
4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 366.30 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122030564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).